Spektraris NMR
Myricetin 3-neohesperidoside
Common Name: Myricetin 3-neohesperidoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H30O17/c1-7-16(33)20(37)22(39)26(40-7)44-25-21(38)18(35)14(6-28)42-27(25)43-24-19(36)15-10(30)4-9(29)5-13(15)41-23(24)8-2-11(31)17(34)12(32)3-8/h2-5,7,14,16,18,20-22,25-35,37-39H,6H2,1H3/t7-,14-,16-,18-,20+,21+,22+,25-,26-,27+/m1/s1
InChIKey: InChIKey=LUITYVJNCILVDI-KUFBNUPQSA-N
Formula: C27H30O17
Molecular Weight: 626.517976
Exact Mass: 626.1483
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Kazuma K., Noda N., Suzuki M. Phytochemistry (2003) 62, 229-37
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavonols; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 2 (C) | 158.48 |
| 3 (C) | 134.71 |
| 4 (C) | 179.31 |
| 5 (C) | 163.2 |
| 6 (CH) | 99.65 |
| 7 (C) | 165.62 |
| 8 (CH) | 94.45 |
| 9 (C) | 158.34 |
| 10 (C) | 105.97 |
| 1' (C) | 122.43 |
| 2' (CH) | 109.87 |
| 3' (C) | 146.46 |
| 4' (C) | 137.74 |
| 5' (C) | 146.46 |
| 6' (CH) | 109.87 |
| 1'' (CH) | 100.42 |
| 2'' (CH) | 80.28 |
| 3'' (CH) | 78.92 |
| 4'' (CH) | 71.55 |
| 5'' (CH) | 78.27 |
| 6'' (CH2) | 62.48 |
| 1''' (CH) | 102.72 |
| 2''' (CH) | 72.4 |
| 3''' (CH) | 72.3 |
| 4''' (CH) | 74.07 |
| 5''' (CH) | 70.03 |
| 6''' (CH3) | 17.37 |
